5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine

C19H21N7 — CID 155528338

IUPAC5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESNc1ncc(N2CCN(c3cccc(-c4cccnc4)c3)CC2)c(N)n1
InChIInChI=1S/C19H21N7/c20-18-17(13-23-19(21)24-18)26-9-7-25(8-10-26)16-5-1-3-14(11-16)15-4-2-6-22-12-15/h1-6,11-13H,7-10H2,(H4,20,21,23,24)
InChIKeyOAYHPOKXENQPKH-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.03
Rot. Bonds3

About 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine

5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine (PubChem CID 155528338) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine
PubChem CID155528338
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine
SMILESNc1ncc(N2CCN(c3cccc(-c4cccnc4)c3)CC2)c(N)n1
InChIInChI=1S/C19H21N7/c20-18-17(13-23-19(21)24-18)26-9-7-25(8-10-26)16-5-1-3-14(11-16)15-4-2-6-22-12-15/h1-6,11-13H,7-10H2,(H4,20,21,23,24)
InChIKeyOAYHPOKXENQPKH-UHFFFAOYSA-N
XLogP2.03
TPSA97.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine (CID 155528338) is 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine is Nc1ncc(N2CCN(c3cccc(-c4cccnc4)c3)CC2)c(N)n1.
What is the InChIKey of 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is OAYHPOKXENQPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c20-18-17(13-23-19(21)24-18)26-9-7-25(8-10-26)16-5-1-3-14(11-16)15-4-2-6-22-12-15/h1-6,11-13H,7-10H2,(H4,20,21,23,24).
What are the key properties of 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine?
5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 347.43 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-pyridin-3-ylphenyl)piperazin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 155528338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).